Exact Mass: 816.1068164
Exact Mass Matches: 816.1068164
Found 14 metabolites which its exact mass value is equals to given mass value 816.1068164,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Brevilagin I
(1S,3R,4R,21R,22S)-10,10,14,15,16,28,28,32,33,34-decahydroxy-3-(hydroxymethyl)-2,5,20,23,38-pentaoxaheptacyclo[19.17.0.0⁴,²².0⁷,¹².0¹³,¹⁸.0²⁵,³⁰.0³¹,³⁶]octatriaconta-7,13(18),14,16,25,31(36),32,34-octaen-6,9,11,19,24,27,29,37-octone
Brevilagin i is slightly soluble (in water) and a weakly acidic compound (based on its pKa). Brevilagin i can be found in common grape, which makes brevilagin i a potential biomarker for the consumption of this food product.
Chloro[(2Z,14Z,27Z,41Z)-2,15,28,41,53,54,55,56-octaazatridecacyclo[40.10.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,52.045,50]hexapentaconta-1(53),2,4(13),5,7,9,11,14,16(55),17(26),18,20,22,24,27,29,31,33,35,37,39,41,43(52),44,46,48,50-heptacosaenato(2-)-κ2N54,N56]gallium
Chloro[(2Z,14Z,27Z,41Z)-2,15,28,41,53,54,55,56-octaazatridecacyclo[40.10.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,52.045,50]hexapentaconta-1(53),2,4(13),5,7,9,11,14,16(55),17(26),18,20,22,24,27,29,31,33,35,37,39,41,43(52),44,46,48,50-heptacosaenato(2-)-κ2N54,N56]gallium
(2E)-3-ethyl-2-[(2E,4E,6E)-7-[5-[(2-iodoacetyl)amino]-1,3,3-trimethylindol-1-ium-2-yl]hepta-2,4,6-trienylidene]-1,1-dimethylbenzo[e]indole-6,8-disulfonic acid
(2E)-3-ethyl-2-[(2E,4E,6E)-7-[5-[(2-iodoacetyl)amino]-1,3,3-trimethylindol-1-ium-2-yl]hepta-2,4,6-trienylidene]-1,1-dimethylbenzo[e]indole-6,8-disulfonic acid
(1r,3s,9r,10s,27r,28s,30r,35s,36s,37r,39s)-1,3,15,16,17,20,21,22,28,37,39-undecahydroxy-2,8,11,26,29,32,38-heptaoxanonacyclo[32.5.2.0³,³⁷.0⁶,³⁶.0⁹,³⁰.0¹⁰,²⁷.0¹³,¹⁸.0¹⁹,²⁴.0³⁵,³⁹]hentetraconta-5,13(18),14,16,19,21,23,34(41)-octaene-4,7,12,25,33,40-hexone
(1r,3s,9r,10s,27r,28s,30r,35s,36s,37r,39s)-1,3,15,16,17,20,21,22,28,37,39-undecahydroxy-2,8,11,26,29,32,38-heptaoxanonacyclo[32.5.2.0³,³⁷.0⁶,³⁶.0⁹,³⁰.0¹⁰,²⁷.0¹³,¹⁸.0¹⁹,²⁴.0³⁵,³⁹]hentetraconta-5,13(18),14,16,19,21,23,34(41)-octaene-4,7,12,25,33,40-hexone
(1s,2s,11r)-2-hydroxy-3-[(1r,2s,3r,11s,14s)-2-hydroxy-14-isopropyl-18-methyl-13,17-dioxo-15,16-dithia-10,12,18-triazapentacyclo[12.2.2.0¹,¹².0³,¹¹.0⁴,⁹]octadeca-4,6,8-trien-3-yl]-14-isopropyl-20-methyl-15,16,17,18-tetrathia-10,12,20-triazapentacyclo[12.4.2.0¹,¹².0³,¹¹.0⁴,⁹]icosa-4,6,8-triene-13,19-dione
(1s,2s,11r)-2-hydroxy-3-[(1r,2s,3r,11s,14s)-2-hydroxy-14-isopropyl-18-methyl-13,17-dioxo-15,16-dithia-10,12,18-triazapentacyclo[12.2.2.0¹,¹².0³,¹¹.0⁴,⁹]octadeca-4,6,8-trien-3-yl]-14-isopropyl-20-methyl-15,16,17,18-tetrathia-10,12,20-triazapentacyclo[12.4.2.0¹,¹².0³,¹¹.0⁴,⁹]icosa-4,6,8-triene-13,19-dione
2-hydroxy-3-{2-hydroxy-14-isopropyl-18-methyl-13,17-dioxo-15,16-dithia-10,12,18-triazapentacyclo[12.2.2.0¹,¹².0³,¹¹.0⁴,⁹]octadeca-4,6,8-trien-3-yl}-14-isopropyl-20-methyl-15,16,17,18-tetrathia-10,12,20-triazapentacyclo[12.4.2.0¹,¹².0³,¹¹.0⁴,⁹]icosa-4,6,8-triene-13,19-dione
2-hydroxy-3-{2-hydroxy-14-isopropyl-18-methyl-13,17-dioxo-15,16-dithia-10,12,18-triazapentacyclo[12.2.2.0¹,¹².0³,¹¹.0⁴,⁹]octadeca-4,6,8-trien-3-yl}-14-isopropyl-20-methyl-15,16,17,18-tetrathia-10,12,20-triazapentacyclo[12.4.2.0¹,¹².0³,¹¹.0⁴,⁹]icosa-4,6,8-triene-13,19-dione
1,13,14,18,18,19,28,34,35,39,39-undecahydroxy-6,9,24,27,30,40,41-heptaoxanonacyclo[34.3.1.1¹⁵,¹⁹.0⁴,³⁸.0⁷,²⁶.0⁸,²⁹.0¹¹,¹⁶.0¹⁷,²².0³²,³⁷]hentetraconta-3,11(16),12,14,21,32,34,36-octaene-2,5,10,20,23,31-hexone
1,13,14,18,18,19,28,34,35,39,39-undecahydroxy-6,9,24,27,30,40,41-heptaoxanonacyclo[34.3.1.1¹⁵,¹⁹.0⁴,³⁸.0⁷,²⁶.0⁸,²⁹.0¹¹,¹⁶.0¹⁷,²².0³²,³⁷]hentetraconta-3,11(16),12,14,21,32,34,36-octaene-2,5,10,20,23,31-hexone
(1s,3r,9r,10s,27r,30r,37s,39r)-1,3,15,16,17,20,21,22,28,37,39-undecahydroxy-2,8,11,26,29,32,38-heptaoxanonacyclo[32.5.2.0³,³⁷.0⁶,³⁶.0⁹,³⁰.0¹⁰,²⁷.0¹³,¹⁸.0¹⁹,²⁴.0³⁵,³⁹]hentetraconta-5,13,15,17,19(24),20,22,34(41)-octaene-4,7,12,25,33,40-hexone
(1s,3r,9r,10s,27r,30r,37s,39r)-1,3,15,16,17,20,21,22,28,37,39-undecahydroxy-2,8,11,26,29,32,38-heptaoxanonacyclo[32.5.2.0³,³⁷.0⁶,³⁶.0⁹,³⁰.0¹⁰,²⁷.0¹³,¹⁸.0¹⁹,²⁴.0³⁵,³⁹]hentetraconta-5,13,15,17,19(24),20,22,34(41)-octaene-4,7,12,25,33,40-hexone
1,3,15,16,17,20,21,22,28,37,39-undecahydroxy-2,8,11,26,29,32,38-heptaoxanonacyclo[32.5.2.0³,³⁷.0⁶,³⁶.0⁹,³⁰.0¹⁰,²⁷.0¹³,¹⁸.0¹⁹,²⁴.0³⁵,³⁹]hentetraconta-5,13(18),14,16,19,21,23,34(41)-octaene-4,7,12,25,33,40-hexone
1,3,15,16,17,20,21,22,28,37,39-undecahydroxy-2,8,11,26,29,32,38-heptaoxanonacyclo[32.5.2.0³,³⁷.0⁶,³⁶.0⁹,³⁰.0¹⁰,²⁷.0¹³,¹⁸.0¹⁹,²⁴.0³⁵,³⁹]hentetraconta-5,13(18),14,16,19,21,23,34(41)-octaene-4,7,12,25,33,40-hexone